chempirical

Ceftiofur

C19H17N5O7S3CAS 80370-57-6523.55 g/mol

Open in Covalent MOL file
ONONHONOHOSOOSSNHNH
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C19H17N5O7S3
Molar mass
523.55 g/mol
Exact mass
523.0290 Da
logP
1.65Crippen estimate
Polar surface area
181.6 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
80370-57-6
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(=N)[nH]1
InChIKey
ZBHXIWJRIFEVQY-IHMPYVIRSA-N
InChI
InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • CM 31916
  • Excede
  • Saifusuan

Work with Ceftiofur

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ceftiofur hydrochloride103980-44-596 % similar Cefpodoxime80210-62-472 % similar Cefotaxime63527-52-669 % similar Cefetamet65052-63-368 % similar Cefuzonam82219-78-167 % similar Cefmenoxime65085-01-065 % similar Cefteram82547-58-865 % similar Cefoselis122841-10-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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